3-[4-(4-nitrophenyl)-1,2-oxazol-3-yl]propanal

Systemtic Name: 3-[4-(4-nitrophenyl)-1,2-oxazol-3-yl]propanal Openeye Name: 3-[4-(4-nitrophenyl)isoxazol-3-yl]propanal CAS Name: 3-[4-(4-nitrophenyl)-3-isoxazolyl]propanal IUPAC Name: 3-[4-(4-nitrophenyl)-1,2-oxazol-3-yl]propanal Traditional Name: 3-[4-(4-nitrophenyl)isoxazol-3-yl]propionaldehyde Formula: C12H10N2O4 MolecularWeight: 246.2188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CON=C2CCC=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=CON=C2CCC=O)[N+](=O)[O-]

InChI

InChI=1S/C12H10N2O4/c15-7-1-2-12-11(8-18-13-12)9-3-5-10(6-4-9)14(16)17/h3-8H,1-2H2